7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid

C11H5ClF3NO2 — CID 71385990

IUPAC7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc2cc(Cl)ccc12
InChIInChI=1S/C11H5ClF3NO2/c12-5-1-2-6-7(10(17)18)4-9(11(13,14)15)16-8(6)3-5/h1-4H,(H,17,18)
InChIKeyODUSHGJSUFHYHI-UHFFFAOYSA-N
MW275.61 g/mol
LogP3.61
Rot. Bonds1

About 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid

7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 71385990) has the molecular formula C11H5ClF3NO2 and a molecular weight of 275.61 g/mol. Its IUPAC name is 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID71385990
Molecular FormulaC11H5ClF3NO2
Molecular Weight275.61 g/mol
Exact Mass275.00
IUPAC Name7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc2cc(Cl)ccc12
InChIInChI=1S/C11H5ClF3NO2/c12-5-1-2-6-7(10(17)18)4-9(11(13,14)15)16-8(6)3-5/h1-4H,(H,17,18)
InChIKeyODUSHGJSUFHYHI-UHFFFAOYSA-N
XLogP3.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984699
7-chloro-2-(trifluoromethyl)quinoline
CID 11031724
2-tert-butyl-7-methylquinoline-4-carboxylic acid
CID 82184128
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 55136857
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
4-bromo-7-chloroquinoline-3-carboxylic acid
CID 97033495
7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483506
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid (CID 71385990) is 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid is O=C(O)c1cc(C(F)(F)F)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is ODUSHGJSUFHYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO2/c12-5-1-2-6-7(10(17)18)4-9(11(13,14)15)16-8(6)3-5/h1-4H,(H,17,18).
What are the key properties of 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid?
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 275.61 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 71385990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).